Information card for entry 4332082

Structure parameters

• Formula: C3 H58 K Na9 Ni7 O108 Si2 W19
• Calculated formula: C3 K Na9 Ni7 O108 Si2 W19
• SMILES: C12=[O][Ni]3456[O]=[W]789(O[W]%10%11%12(=O)O[W]%13%14%15(O[W]%16%17(O[W]%18%19(O[W]%20%21%22(=[O][Ni]%23%24%25([O]%26%22[Si]%22([O]%27%11[W](O%12)(O%21)(O%15)(O[W]%11%27(O[W]%26(O%20)(O[W](=[O]3)(=O)(O%11)([O]57%22)O8)(=[O]%24)=O)(O%10)=O)=O)[O]%14%17%18)[O]6[Ni]3([OH2])([O]4%16)([O]%19%23)[O]2[Ni]2456[O]7[Ni]8%10%11([O]=[W]%12%14%15(O[W]%16%17%18(=[O][Ni]%197([O]=[W]7%20(O[W]%21%22%23(O[W]%24%26(=[O][Ni]([O]=[W]%27%28(O%24)([O]%26[Si]%24([O]%187)[O]8%14[W](O[W]7(O[W](O%16)(=O)(O%12)([O]%22%247)O%23)(O%21)(O%27)=O)(=[O]%11)(O%15)(=O)O%28)=O)([O]2%19)([O]5%10)OC(=O)O6)(O%20)=O)=O)(O%17)=O)O1)=O)=O)[O]=C([O]34)O%25)=O)(=O)O%13)(=O)O9)=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.[K+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O
• Title of publication: Synthesis, Characterization, and Crystal Structures of Two Novel High-Nuclear Nickel-Substituted Dimeric Polyoxometalates
• Authors of publication: Zhang, Zhiming; Li, Yangguang; Wang, Enbo; Wang, Xinlong; Qin, Chao; An, Haiyan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 11
• Pages of publication: 4313 - 4315
• a: 12.462 ± 0.003 Å
• b: 20.616 ± 0.004 Å
• c: 23.966 ± 0.005 Å
• α: 113.35 ± 0.03°
• β: 94.5 ± 0.03°
• γ: 92.09 ± 0.03°
• Cell volume: 5620 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1221
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.1829
• Weighted residual factors for all reflections included in the refinement: 0.2159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No